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Chemical ID: 4748254

COc1ccccc1N=C2N(C3(CCCCC3)C(=C)S2)C(=O)c4ccccc4Cl

Chemical ID:

4748254

Name [?]:

(2-chlorophenyl)-[2-(2-methoxyphenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]dec-1-yl]-methanone

SMILES [?]:

COc1ccccc1N=C2N(C3(CCCCC3)C(=C)S2)C(=O)c4ccccc4Cl

InChi [?]:

InChI=1/C23H23ClN2O2S/c1-16-23(14-8-3-9-15-23)26(21(27)17-10-4-5-11-18(17)24)22(29-16)25-19-12-6-7-13-20(19)28-2/h4-7,10-13H,1,3,8-9,14-15H2,2H3

InChi Info:

AuxInfo=1/0/N:19,1,15,25,26,6,5,14,16,24,27,7,4,13,17,18,23,28,8,3,21,10,12,29,9,11,22,2,20/E:(8,9)(14,15)/rA:29nCOCCCCCCNCNCCCCCCCCSCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;s12;s13;s14;s15;s12s16;s12;d18;s10s18;s11;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃ClN₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.17906
Area:	511.007
Solvation:	-3.59612
Coulombic:	-34.932

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	426.96
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.4
LogP (Chemaxon):	5.66

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value